SCHEMBL2215377

SCHEMBL2215377

CN(C)CCCN(c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cnn(C)c5)cc4c23)cc1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41
PIM1 P11309 8/20 0.38
MAPT P10636 2/20 0.37
MAP4K1 Q92918 7/20 0.36
NTRK1 P04629 4/20 0.36
KIT P10721 4/20 0.36
FLT3 P36888 4/20 0.36
AURKA O14965 2/20 0.34
AURKB Q96GD4 2/20 0.34
INCENP Q9NQS7 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1561170 0.87 CHEK1 (0.38) CHEK1ACHEPIM1MAPTAURKA
SCHEMBL2215352 0.86 CHEK1 (0.38) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL11934527 0.81 FYN (0.43) CHEK1ACHEPIM1
SCHEMBL1560881 0.80 CHEK1 (0.44) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL11937135 0.80 FYN (0.46) CHEK1ACHEPIM1
SCHEMBL474985 0.77 CHEK1 (0.46) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL11908677 0.77 CHEK1 (0.47) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL473714 0.76 MKNK1 (0.46) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL11907789 0.76 CHEK1 (0.47) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL1560574 0.76 CHEK1 (0.42) CHEK1ACHEPIM1MAPTMAP4K1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US claimed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B CHEK1 786/4885ACHE 4362/4885PIM1 2969/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.